SCHEMBL29074633

SCHEMBL29074633

CCCCCC(=O)OC(=O)/C=C\C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.58
PAM P19021 2/20 0.46
DGKA P23743 1/20 0.46
AKR1B1 P15121 1/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.42
POLA1 P09884 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
GPR84 Q9NQS5 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28554770 0.98 HCAR2 (0.59) HCAR2PAMDGKATSHRLMNA
SCHEMBL668235 0.98 HCAR2 (0.59) HCAR2PAMDGKATSHRLMNA
SCHEMBL28417066 0.98 HCAR2 (0.59) HCAR2PAMDGKATSHRLMNA
SCHEMBL7544169 0.98 HCAR2 (0.59) HCAR2PAMDGKATSHRLMNA
SCHEMBL18209635 0.98 HCAR2 (0.59) HCAR2PAMDGKATSHRLMNA
SCHEMBL18209636 0.98 HCAR2 (0.59) HCAR2PAMDGKATSHRLMNA
SCHEMBL4012514 0.98 HCAR2 (0.59) HCAR2PAMDGKATSHRLMNA
SCHEMBL4012511 0.98 HCAR2 (0.59) HCAR2PAMDGKATSHRLMNA
SCHEMBL668234 0.98 HCAR2 (0.59) HCAR2PAMDGKATSHRLMNA
SCHEMBL27674170 0.98 HCAR2 (0.59) HCAR2PAMDGKATSHRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116782954-A Antibody-irinotecan conjugates 西纳福克斯股份有限公司 2023-09-19 CN disclosed